4-methyl-3-[[(2S)-2-(phenylmethylsulfanyl)propanoyl]amino]benzoate

Systemtic Name: 4-methyl-3-[[(2S)-2-(phenylmethylsulfanyl)propanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-benzylsulfanylpropanoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[(2S)-1-oxo-2-(phenylmethylthio)propyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-benzylsulfanylpropanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-(benzylthio)propanoyl]amino]-4-methyl-benzoate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)[C@H](C)SCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-12-8-9-15(18(21)22)10-16(12)19-17(20)13(2)23-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1